Structure of PDB 4lrz Chain C Binding Site BS03

Receptor Information
>4lrz Chain C (length=211) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSLSRTQIVNWLTRCGDIFSTESEYLTGLDREIGDADHGLNMNRGFSKV
VEKLPAIADKDIGFILKNTGMTLLSSVGGASGPLFGTFFIRAAQATQARQ
SLTLEELYQMFRDGADGVISRGKAEPGDKTMCDVWVPVVESLRQSSEQNL
SVPVALEAASSIAESAAQSTITMQARKGRASYLGERSIGHQDPGATSVMF
MMQMLALAAKE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4lrz Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lrz Coiled-Coil Helix Rotation Selects Repressing or Activating State of Transcriptional Regulator DhaR.
Resolution2.32 Å
Binding residue
(original residue number in PDB)		D35 D37
Binding residue
(residue number reindexed from 1)		D36 D38
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.121: phosphoenolpyruvate--glycerone phosphotransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004371 glycerone kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016740 transferase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
GO:0043531 ADP binding
GO:0046872 metal ion binding
GO:0047324 phosphoenolpyruvate-glycerone phosphotransferase activity
Biological Process
GO:0006071 glycerol metabolic process
GO:0006090 pyruvate metabolic process
GO:0016310 phosphorylation
GO:0019563 glycerol catabolic process
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:1990234 transferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lrz, PDBe:4lrz, PDBj:4lrz
PDBsum4lrz
PubMed24440518
UniProtP76014|DHAL_ECOLI PEP-dependent dihydroxyacetone kinase, ADP-binding subunit DhaL (Gene Name=dhaL)

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